Detailed information for compound 279711

Basic information

Technical information
  • TDR Targets ID: 279711
  • Name: 1-[2-[4-(furan-2-ylmethyl)phenoxy]ethyl]pyrro lidine
  • MW: 271.354 | Formula: C17H21NO2
  • H donors: 0 H acceptors: 0 LogP: 3.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(C1)CCOc1ccc(cc1)Cc1ccco1
  • InChi: 1S/C17H21NO2/c1-2-10-18(9-1)11-13-20-16-7-5-15(6-8-16)14-17-4-3-12-19-17/h3-8,12H,1-2,9-11,13-14H2
  • InChiKey: VKRQDYBJLOEKGC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-[4-(2-furylmethyl)phenoxy]ethyl]pyrrolidine
  • 1-[2-[4-(2-furfuryl)phenoxy]ethyl]pyrrolidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens leukotriene A4 hydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) Get druggable targets OG5_129538 All targets in OG5_129538
Schistosoma japonicum ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus granulosus leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Loa Loa (eye worm) leukotriene A4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 leukotriene A4 hydrolase 611 aa 508 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.3336 0.3336
Brugia malayi Dihydrofolate reductase 0.0049 0.0229 0.0844
Echinococcus granulosus thymidylate synthase 0.0121 0.1201 0.1201
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0173 0.0173
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0171 0.1871 1
Brugia malayi hypothetical protein 0.0058 0.034 0.1257
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.047 0.1408
Loa Loa (eye worm) dihydrofolate reductase 0.0049 0.0229 0.0685
Brugia malayi thymidylate synthase 0.0121 0.1201 0.4436
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0121 0.1201 1
Echinococcus multilocularis thymidylate synthase 0.0121 0.1201 0.1201
Loa Loa (eye worm) hypothetical protein 0.0033 0.0011 0.0032
Onchocerca volvulus 0.0033 0.0011 0.0034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0011 0.0011
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0093 0.0093
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0107 0.1004 0.1004
Chlamydia trachomatis dihydrofolate reductase 0.0049 0.0229 0.5
Onchocerca volvulus 0.0121 0.1201 0.3822
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0093 0.0093
Brugia malayi dihydrofolate reductase family protein 0.0049 0.0229 0.0844
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0171 0.1871 0.5
Echinococcus granulosus dihydrofolate reductase 0.0049 0.0229 0.0229
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0171 0.1871 1
Echinococcus multilocularis dihydrofolate reductase 0.0049 0.0229 0.0229
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0011 0.0011
Schistosoma mansoni microtubule-associated protein tau 0.0771 1 1
Plasmodium vivax SET domain protein, putative 0.0033 0.0011 0.0056
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0011 0.0011
Loa Loa (eye worm) thymidylate synthase 0.0121 0.1201 0.3601
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0011 0.0056
Schistosoma mansoni dihydrofolate reductase 0.0049 0.0229 0.0229
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.3336 0.3336
Brugia malayi Pre-SET motif family protein 0.0232 0.2708 1
Mycobacterium ulcerans thymidylate synthase 0.0121 0.1201 1
Giardia lamblia PHD finger protein 15 0.0033 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0093 0.0093
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0121 0.1201 0.1201
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0121 0.1201 1
Trichomonas vaginalis set domain proteins, putative 0.0265 0.3143 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0107 0.1004 0.1004
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0173 0.0173
Brugia malayi jmjC domain containing protein 0.0107 0.1004 0.3706
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0171 0.1871 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0171 0.1871 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0011 0.0011
Echinococcus multilocularis microtubule associated protein 2 0.0771 1 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.3336 0.3336
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0093 0.0278
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.2708 0.8118
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0093 0.0093
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.3336 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0315 0.0945
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0011 0.0011
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0011 0.0011
Brugia malayi jmjC domain containing protein 0.0039 0.0093 0.0343
Onchocerca volvulus 0.0265 0.3143 1
Schistosoma mansoni jumonji domain containing protein 0.0085 0.0707 0.0707
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0171 0.1871 1
Brugia malayi Pre-SET motif family protein 0.0033 0.0011 0.0039
Brugia malayi hypothetical protein 0.0128 0.1295 0.4783
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0011 0.0011
Mycobacterium tuberculosis Hypothetical protein 0.0058 0.034 0.1148

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.047 uM Inhibitory activity was determined against Leukotriene A4 hydrolase ChEMBL. 10691697
IC50 (binding) = 0.047 uM Inhibitory activity was determined against Leukotriene A4 hydrolase ChEMBL. 10691697
IC50 (functional) = 0.075 uM Inhibitory activity was determined for LTB4 production in human whole blood. ChEMBL. 10691697
IC50 (functional) = 0.075 uM Inhibitory activity was determined for LTB4 production in human whole blood. ChEMBL. 10691697

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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